1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one

C22H26N4O — CID 10761157

IUPAC1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C22H26N4O/c1-17-24-20-15-23-12-9-21(20)26(17)16-19-10-13-25(14-11-19)22(27)8-7-18-5-3-2-4-6-18/h2-6,9,12,15,19H,7-8,10-11,13-14,16H2,1H3
InChIKeyCLLIQUHHIFGGJA-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.61
Rot. Bonds5

About 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one

1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 10761157) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID10761157
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C22H26N4O/c1-17-24-20-15-23-12-9-21(20)26(17)16-19-10-13-25(14-11-19)22(27)8-7-18-5-3-2-4-6-18/h2-6,9,12,15,19H,7-8,10-11,13-14,16H2,1H3
InChIKeyCLLIQUHHIFGGJA-UHFFFAOYSA-N
XLogP3.61
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one (CID 10761157) is 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one is Cc1nc2cnccc2n1CC1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is CLLIQUHHIFGGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-17-24-20-15-23-12-9-21(20)26(17)16-19-10-13-25(14-11-19)22(27)8-7-18-5-3-2-4-6-18/h2-6,9,12,15,19H,7-8,10-11,13-14,16H2,1H3.
What are the key properties of 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one?
1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 362.48 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 10761157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).